6-[2-(methylideneamino)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine

C19H14F6N6 — CID 144848728

About 6-[2-(methylideneamino)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine

6-[2-(methylideneamino)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine (PubChem CID 144848728) has the molecular formula C19H14F6N6 and a molecular weight of 440.35 g/mol. Its IUPAC name is 6-[2-(methylideneamino)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine.

Molecular Properties

• Compound Name: 6-[2-(methylideneamino)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
• PubChem CID: 144848728
• Molecular Formula: C19H14F6N6
• Molecular Weight: 440.35 g/mol
• Exact Mass: 440.12
• IUPAC Name: 6-[2-(methylideneamino)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
• SMILES: C=Nc1nc(C(F)(F)F)c(-c2cncc(Nc3ccc(C(F)(F)F)cc3)n2)n1/C=C\C
• InChI: InChI=1S/C19H14F6N6/c1-3-8-31-15(16(19(23,24)25)30-17(31)26-2)13-9-27-10-14(29-13)28-12-6-4-11(5-7-12)18(20,21)22/h3-10H,2H2,1H3,(H,28,29)/b8-3-
• InChIKey: QQABFQANFWNNPF-BAQGIRSFSA-N
• XLogP: 5.94
• TPSA: 67.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.35
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[2-(methylideneamino)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?

The IUPAC name of 6-[2-(methylideneamino)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine (CID 144848728) is 6-[2-(methylideneamino)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine.

What is the SMILES notation for 6-[2-(methylideneamino)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?

The canonical SMILES for 6-[2-(methylideneamino)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine is C=Nc1nc(C(F)(F)F)c(-c2cncc(Nc3ccc(C(F)(F)F)cc3)n2)n1/C=C\C.

What is the InChIKey of 6-[2-(methylideneamino)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?

The InChIKey is QQABFQANFWNNPF-BAQGIRSFSA-N. The full InChI is InChI=1S/C19H14F6N6/c1-3-8-31-15(16(19(23,24)25)30-17(31)26-2)13-9-27-10-14(29-13)28-12-6-4-11(5-7-12)18(20,21)22/h3-10H,2H2,1H3,(H,28,29)/b8-3-.

What are the key properties of 6-[2-(methylideneamino)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?

6-[2-(methylideneamino)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine has a molecular weight of 440.35 g/mol, XLogP of 5.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(methylideneamino)-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)imidazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine is sourced from PubChem (CID 144848728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).